--- trunk/src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp	2006/03/22 20:57:09	911
+++ trunk/src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp	2013/06/16 15:15:42	1879
@@ -6,19 +6,10 @@
  * redistribute this software in source and binary code form, provided
  * that the following conditions are met:
  *
- * 1. Acknowledgement of the program authors must be made in any
- *    publication of scientific results based in part on use of the
- *    program.  An acceptable form of acknowledgement is citation of
- *    the article in which the program was described (Matthew
- *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
- *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
- *    Parallel Simulation Engine for Molecular Dynamics,"
- *    J. Comput. Chem. 26, pp. 252-271 (2005))
- *
- * 2. Redistributions of source code must retain the above copyright
+ * 1. Redistributions of source code must retain the above copyright
  *    notice, this list of conditions and the following disclaimer.
  *
- * 3. Redistributions in binary form must reproduce the above copyright
+ * 2. Redistributions in binary form must reproduce the above copyright
  *    notice, this list of conditions and the following disclaimer in the
  *    documentation and/or other materials provided with the
  *    distribution.
@@ -38,13 +29,18 @@
  * University of Notre Dame has been advised of the possibility of
  * such damages.
  *
- *
- *  shapedLatticeSpherical.cpp
- *  OOPSE-3.0
- *
+ * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
+ * research, please cite the appropriate papers when you publish your
+ * work.  Good starting points are:
+ *                                                                      
+ * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
+ * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
+ * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
  *  Created by Charles F. Vardeman II on 3/15/06.
  *  @author  Charles F. Vardeman II 
- *  @version $Id: shapedLatticeSpherical.cpp,v 1.1 2006-03-22 20:57:09 chuckv Exp $
+ *  @version $Id$
  *
  */
 
@@ -52,26 +48,31 @@ using namespace std;
 #include "shapedLatticeSpherical.hpp"
 
 using namespace std;
-namespace oopse {
-
-shapedLatticeSpherical::shapedLatticeSpherical(double latticeConstant,std::string latticeType, double radius):
-shapedLattice(latticeConstant, latticeType){
+namespace OpenMD {
   
-  sphereRadius_= radius;
-  Vector3d dimension;
-  dimension[0]=2.0*radius;
-  dimension[1]=2.0*radius;
-  dimension[2]=2.0*radius;
-  setGridDimension(dimension);
+  shapedLatticeSpherical::shapedLatticeSpherical(RealType latticeConstant,
+                                                 std::string latticeType, 
+                                                 RealType radius) : shapedLattice(latticeConstant, latticeType){
+    
+    sphereRadius_= radius;
+    Vector3d dimension;
+    dimension[0]=2.0*radius;
+    dimension[1]=2.0*radius;
+    dimension[2]=2.0*radius;
+    setGridDimension(dimension);
+    Vector3d origin;
+    origin[0] = latticeConstant / 2.0;
+    origin[1] = latticeConstant / 2.0;
+    origin[2] = latticeConstant / 2.0;
+    setOrigin(origin);
+  }
+  /**
+   * Determines whether a point lies with a sphere at origin 0
+   *
+   */  
+  bool shapedLatticeSpherical::isInterior(Vector3d point){
+    bool isIT=false;
+    if (point.length() <= sphereRadius_) isIT=true;
+    return isIT;
+  }
 }
-/**
- * Determines whether a point lies with a sphere at origin 0
- *
- */
-
-bool shapedLatticeSpherical::isInterior(Vector3d point){
-  bool isIT=false;
-  if (point.length() <= sphereRadius_) isIT=true;
-  return isIT;
-}
-}
\ No newline at end of file